2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane
Product Information
Molecular Formula
C27H36O2
Molecular Weight
392.57
Description
2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane is an instrumental organic compound with notable biomedical implications. Predominantly, synthesis of avant-garde pharmaceutical agents employs this central molecule, targeting a spectrum of pathological conditions, notably cancer, and pathologies of cardiovascular nature.
Synonyms
2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane||||4,4'-Isopropylidenebis(2-cyclohexylphenol)
IUPAC Name
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propan-2-yl]phenol
SMILES
CC(C)(C1=CC(=C(C=C1)O)C2CCCCC2)C3=CC(=C(C=C3)O)C4CCCCC4
InChI
InChI=1S/C27H36O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h13-20,28-29H,3-12H2,1-2H3
InChI Key
WKVWOPDUENJKAR-UHFFFAOYSA-N
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
9.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
392.271530387 g/mol
Monoisotopic Mass
392.271530387 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
459
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2021049782-A | Fiber composite and its manufacturing method | 2020-11-26 |
| JP-2022042826-A | Resin composition, molded product, and manufacturing method of molded product | 2020-09-03 |
| WO-2022044962-A1 | Curable composition for antimicrobial and antiviral material, antimicrobial and antiviral material, and antimicrobial and antiviral laminate | 2020-08-27 |
| WO-2022045018-A1 | Polymerizable functional group-containing microballoon | 2020-08-26 |
| WO-2022038883-A1 | Polycarbonate-polysiloxane resin | 2020-08-18 |
| WO-2022039028-A1 | Photosensitive resin composition, cured product, display device, semiconductor device and method for producing cured product | 2020-08-17 |
| JP-2022032702-A | Resin composition and optical lens and optical film containing it | 2020-08-13 |
| JP-2022032076-A | Polycarbonate resin composition | 2020-08-11 |
| US-2022044845-A1 | Cable clip and method of use | 2020-08-07 |
| WO-2022030531-A1 | Curable composition and cured article thereof | 2020-08-05 |
